Isoxazoles

Aromatic organic heterocyclic compounds that consist of an azole with a nitrogen atom and an oxygen atom with the formula: C3H3NO.

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Sulfisoxazole, 99%, Thermo Scientific Chemicals

CAS: 127-69-5 Formula molecolare: C₁₁H₁₃N₃O₃S Molecular Weight (g/mol): 267.3 InChI Key: NHUHCSRWZMLRLA-UHFFFAOYSA-N Sinonimo: sulfisoxazole,sulfafurazole,sulphafurazole,sulfisoxazol,sulfafurazol,sulfaisoxazole,sulfofurazole,sulfisoxasole,sulphaisoxazole,sulfadimethylisoxazole PubChem CID: 5344 ChEBI: CHEBI:102484 IUPAC Name: 4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide SMILES: CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)N

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Sinonimo	sulfisoxazole,sulfafurazole,sulphafurazole,sulfisoxazol,sulfafurazol,sulfaisoxazole,sulfofurazole,sulfisoxasole,sulphaisoxazole,sulfadimethylisoxazole
PubChem CID	5344
Formula molecolare	C₁₁H₁₃N₃O₃S
CAS	127-69-5
Molecular Weight (g/mol)	267.3
ChEBI	CHEBI:102484
SMILES	CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)N
IUPAC Name	4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide
InChI Key	NHUHCSRWZMLRLA-UHFFFAOYSA-N

3-Hydroxy-5-methylisoxazole, 97%

CAS: 10004-44-1 Formula molecolare: C4H5NO2 Molecular Weight (g/mol): 99.089 Numero MDL: MFCD00144468 InChI Key: KGVPNLBXJKTABS-UHFFFAOYSA-N Sinonimo: hymexazol,3-hydroxy-5-methylisoxazole,hymexazole,5-methylisoxazol-3-ol,5-methylisoxazol-3 2h-one,hydroxyisoxazole,tachigaren,itachigarden,5-methyl-3-hydroxyisoxazole,5-methyl-3 2h-isoxazolone PubChem CID: 24781 ChEBI: CHEBI:5827 IUPAC Name: 5-methyl-1,2-oxazol-3-one SMILES: CC1=CC(=O)NO1

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Sinonimo	hymexazol,3-hydroxy-5-methylisoxazole,hymexazole,5-methylisoxazol-3-ol,5-methylisoxazol-3 2h-one,hydroxyisoxazole,tachigaren,itachigarden,5-methyl-3-hydroxyisoxazole,5-methyl-3 2h-isoxazolone
Numero MDL	MFCD00144468
PubChem CID	24781
Formula molecolare	C4H5NO2
CAS	10004-44-1
Molecular Weight (g/mol)	99.089
ChEBI	CHEBI:5827
SMILES	CC1=CC(=O)NO1
IUPAC Name	5-methyl-1,2-oxazol-3-one
InChI Key	KGVPNLBXJKTABS-UHFFFAOYSA-N

5-Amino-3,4-dimethylisoxazole, 99%

CAS: 19947-75-2 Formula molecolare: C5H8N2O Molecular Weight (g/mol): 112.132 Numero MDL: MFCD00046081 InChI Key: PYNDWPFZDQONDV-UHFFFAOYSA-N Sinonimo: 5-amino-3,4-dimethylisoxazole,3,4-dimethylisoxazol-5-amine,5-amino-3,4-dimethyl-isoxazole,5-isoxazolamine, 3,4-dimethyl,dimethyl-1,2-oxazol-5-amine,3,4-dimethyl-5-isoxazolamine,5-amino-3,4-dimethyl isoxazole,3,4-dimethylisoxazole-5-ylamine,3,4-dimethylisoxazol-5-ylamine,pubchem8660 PubChem CID: 88317 IUPAC Name: 3,4-dimethyl-1,2-oxazol-5-amine SMILES: CC1=C(ON=C1C)N

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Sinonimo	5-amino-3,4-dimethylisoxazole,3,4-dimethylisoxazol-5-amine,5-amino-3,4-dimethyl-isoxazole,5-isoxazolamine, 3,4-dimethyl,dimethyl-1,2-oxazol-5-amine,3,4-dimethyl-5-isoxazolamine,5-amino-3,4-dimethyl isoxazole,3,4-dimethylisoxazole-5-ylamine,3,4-dimethylisoxazol-5-ylamine,pubchem8660
Numero MDL	MFCD00046081
PubChem CID	88317
Formula molecolare	C5H8N2O
CAS	19947-75-2
Molecular Weight (g/mol)	112.132
SMILES	CC1=C(ON=C1C)N
IUPAC Name	3,4-dimethyl-1,2-oxazol-5-amine
InChI Key	PYNDWPFZDQONDV-UHFFFAOYSA-N

4-(Chloromethyl)-3-(2,6-dichlorophenyl)-5-methylisoxazole, 97%, Thermo Scientific™

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5-chlorobenzo[d]isoxazol-3-ol, Thermo Scientific™

CAS: 24603-63-2 Formula molecolare: C7H4ClNO2 Molecular Weight (g/mol): 169.564 InChI Key: WIZWHBRFTCYPDN-UHFFFAOYSA-N Sinonimo: 5-chlorobenzo d isoxazol-3-ol,5-chloro-3-hydroxybenzisoxazole,5-chloro-1,2-benzoxazol-3-ol,5-chloro-1,2-benzisoxazol-3 2h-one,1,2-benzisoxazol-3 2h-one, 5-chloro,5-chloro-2h-1,2-benzoxazol-3-one,pubchem24257,5-chloro-benzo d isoxazol-3-ol,5-chloro-benzo d isoxazol-3-one,5-chlorobenzo d isoxazol-3 2h-one PubChem CID: 3714169 IUPAC Name: 5-chloro-1,2-benzoxazol-3-one SMILES: C1=CC2=C(C=C1Cl)C(=O)NO2

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Sinonimo	5-chlorobenzo d isoxazol-3-ol,5-chloro-3-hydroxybenzisoxazole,5-chloro-1,2-benzoxazol-3-ol,5-chloro-1,2-benzisoxazol-3 2h-one,1,2-benzisoxazol-3 2h-one, 5-chloro,5-chloro-2h-1,2-benzoxazol-3-one,pubchem24257,5-chloro-benzo d isoxazol-3-ol,5-chloro-benzo d isoxazol-3-one,5-chlorobenzo d isoxazol-3 2h-one
PubChem CID	3714169
Formula molecolare	C7H4ClNO2
CAS	24603-63-2
Molecular Weight (g/mol)	169.564
SMILES	C1=CC2=C(C=C1Cl)C(=O)NO2
IUPAC Name	5-chloro-1,2-benzoxazol-3-one
InChI Key	WIZWHBRFTCYPDN-UHFFFAOYSA-N

3-(Bromomethyl)-5-methylisoxazole, 97%, Thermo Scientific™

CAS: 130628-75-0 Formula molecolare: C5H6BrNO Molecular Weight (g/mol): 176.01 Numero MDL: MFCD02677720 InChI Key: ASGJFGPILHALRC-UHFFFAOYSA-N Sinonimo: 3-bromomethyl-5-methylisoxazole,3-bromomethyl-5-methyl-1,2-oxazole,3-bromomethyl-5-methyl-isoxazole,isoxazole,3-bromomethyl-5-methyl,zlchem 1313,acmc-1ca86,3-bromomethyl-5-methylisoxazol,5-brimomethyl-3-methylisoxazle PubChem CID: 2776304 IUPAC Name: 3-(bromomethyl)-5-methyl-1,2-oxazole SMILES: CC1=CC(CBr)=NO1

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Sinonimo	3-bromomethyl-5-methylisoxazole,3-bromomethyl-5-methyl-1,2-oxazole,3-bromomethyl-5-methyl-isoxazole,isoxazole,3-bromomethyl-5-methyl,zlchem 1313,acmc-1ca86,3-bromomethyl-5-methylisoxazol,5-brimomethyl-3-methylisoxazle
Numero MDL	MFCD02677720
PubChem CID	2776304
Formula molecolare	C5H6BrNO
CAS	130628-75-0
Molecular Weight (g/mol)	176.01
SMILES	CC1=CC(CBr)=NO1
IUPAC Name	3-(bromomethyl)-5-methyl-1,2-oxazole
InChI Key	ASGJFGPILHALRC-UHFFFAOYSA-N

5-Methyl-3-phenylisoxazole-4-carbonyl chloride, 90%, Thermo Scientific™

CAS: 16883-16-2 Formula molecolare: C11H8ClNO2 Molecular Weight (g/mol): 221.64 Numero MDL: MFCD00052205 InChI Key: HXEVQMXCHCDPSO-UHFFFAOYSA-N Sinonimo: 5-methyl-3-phenylisoxazole-4-carbonyl chloride,pmic chloride,unii-97ot2t1w6v,3-phenyl-5-methylisoxazole-4-carbonyl chloride,4-isoxazolecarbonyl chloride, 5-methyl-3-phenyl,5-methyl-3-phenyl-4-isoxazolecarbonyl chloride,3-phenyl-5-methyl-isoxazole-4-carbonyl,pubchem8723,acmc-20am25,dsstox_cid_31452 PubChem CID: 85624 IUPAC Name: 5-methyl-3-phenyl-1,2-oxazole-4-carbonyl chloride SMILES: CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)Cl

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Sinonimo	5-methyl-3-phenylisoxazole-4-carbonyl chloride,pmic chloride,unii-97ot2t1w6v,3-phenyl-5-methylisoxazole-4-carbonyl chloride,4-isoxazolecarbonyl chloride, 5-methyl-3-phenyl,5-methyl-3-phenyl-4-isoxazolecarbonyl chloride,3-phenyl-5-methyl-isoxazole-4-carbonyl,pubchem8723,acmc-20am25,dsstox_cid_31452
Numero MDL	MFCD00052205
PubChem CID	85624
Formula molecolare	C11H8ClNO2
CAS	16883-16-2
Molecular Weight (g/mol)	221.64
SMILES	CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)Cl
IUPAC Name	5-methyl-3-phenyl-1,2-oxazole-4-carbonyl chloride
InChI Key	HXEVQMXCHCDPSO-UHFFFAOYSA-N

Ethyl 3,5-dimethylisoxazole-4-carboxylate, 97%

CAS: 17147-42-1 Formula molecolare: C8H11NO3 Molecular Weight (g/mol): 169.18 Numero MDL: MFCD00052557 InChI Key: OQRHVDXUJAQVNT-UHFFFAOYSA-N Sinonimo: ethyl 3,5-dimethylisoxazole-4-carboxylate,ethyl 3,5-dimethyl-4-isoxazolecarboxylate,3,5-dimethylisoxazole-4-carboxylic acid ethyl ester,4-isoxazolecarboxylic acid, 3,5-dimethyl-, ethyl ester,3,5-dimethyl-4-ethoxycarbonyl isoxazole,ethyl 3,5-dimethyl-isoxazole-4-carboxylate,acmc-1c48c,ethyldimethylisoxazolecarboxylate,4-carbethoxy-3,5-dimethylisoxazole,4-carboethoxy-3,5-dimethylisoxazole PubChem CID: 736348 IUPAC Name: ethyl 3,5-dimethyl-1,2-oxazole-4-carboxylate SMILES: CCOC(=O)C1=C(ON=C1C)C

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Sinonimo	ethyl 3,5-dimethylisoxazole-4-carboxylate,ethyl 3,5-dimethyl-4-isoxazolecarboxylate,3,5-dimethylisoxazole-4-carboxylic acid ethyl ester,4-isoxazolecarboxylic acid, 3,5-dimethyl-, ethyl ester,3,5-dimethyl-4-ethoxycarbonyl isoxazole,ethyl 3,5-dimethyl-isoxazole-4-carboxylate,acmc-1c48c,ethyldimethylisoxazolecarboxylate,4-carbethoxy-3,5-dimethylisoxazole,4-carboethoxy-3,5-dimethylisoxazole
Numero MDL	MFCD00052557
PubChem CID	736348
Formula molecolare	C8H11NO3
CAS	17147-42-1
Molecular Weight (g/mol)	169.18
SMILES	CCOC(=O)C1=C(ON=C1C)C
IUPAC Name	ethyl 3,5-dimethyl-1,2-oxazole-4-carboxylate
InChI Key	OQRHVDXUJAQVNT-UHFFFAOYSA-N

3-(Chloromethyl)-5-methylisoxazole, 97%, Thermo Scientific™

CAS: 35166-37-1 Formula molecolare: C5H6ClNO Molecular Weight (g/mol): 131.56 Numero MDL: MFCD00221166 InChI Key: FEXTXBAFBURKGS-UHFFFAOYSA-N Sinonimo: 3-chloromethyl-5-methylisoxazole,3-chloromethyl-5-methyl-1,2-oxazole,3-chloromethyl-5-methyl-isoxazole,pubchem8710,zlchem 1024,acmc-209idp,3-chloromethyl-5-methyisoxazole,3-choromethyl-5-methylisoxazole,5-methyl-3-chloromethylisoxazole PubChem CID: 2735763 IUPAC Name: 3-(chloromethyl)-5-methyl-1,2-oxazole SMILES: CC1=CC(CCl)=NO1

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Sinonimo	3-chloromethyl-5-methylisoxazole,3-chloromethyl-5-methyl-1,2-oxazole,3-chloromethyl-5-methyl-isoxazole,pubchem8710,zlchem 1024,acmc-209idp,3-chloromethyl-5-methyisoxazole,3-choromethyl-5-methylisoxazole,5-methyl-3-chloromethylisoxazole
Numero MDL	MFCD00221166
PubChem CID	2735763
Formula molecolare	C5H6ClNO
CAS	35166-37-1
Molecular Weight (g/mol)	131.56
SMILES	CC1=CC(CCl)=NO1
IUPAC Name	3-(chloromethyl)-5-methyl-1,2-oxazole
InChI Key	FEXTXBAFBURKGS-UHFFFAOYSA-N

5-Methylisoxazole-3-carboxylic acid, 98+%

CAS: 3405-77-4 Formula molecolare: C5H5NO3 Molecular Weight (g/mol): 127.099 Numero MDL: MFCD01318162 InChI Key: BNMPIJWVMVNSRD-UHFFFAOYSA-N Sinonimo: 5-methylisoxazole-3-carboxylic acid,5-methylisoxazole-3-carboxylicacid,3-isoxazolecarboxylic acid, 5-methyl,5-methyl-3-isoxazolecarboxylic acid,5-methyl-isoxazole-3-carboxylic acid,3-carboxy-5-methylisoxazole,3-isoxazolecarboxylicacid, 5-methyl,isoxazole acid,pubchem15552,ksc224c5p PubChem CID: 76947 IUPAC Name: 5-methyl-1,2-oxazole-3-carboxylic acid SMILES: CC1=CC(=NO1)C(=O)O

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Sinonimo	5-methylisoxazole-3-carboxylic acid,5-methylisoxazole-3-carboxylicacid,3-isoxazolecarboxylic acid, 5-methyl,5-methyl-3-isoxazolecarboxylic acid,5-methyl-isoxazole-3-carboxylic acid,3-carboxy-5-methylisoxazole,3-isoxazolecarboxylicacid, 5-methyl,isoxazole acid,pubchem15552,ksc224c5p
Numero MDL	MFCD01318162
PubChem CID	76947
Formula molecolare	C5H5NO3
CAS	3405-77-4
Molecular Weight (g/mol)	127.099
SMILES	CC1=CC(=NO1)C(=O)O
IUPAC Name	5-methyl-1,2-oxazole-3-carboxylic acid
InChI Key	BNMPIJWVMVNSRD-UHFFFAOYSA-N

3-Ethyl-5-methylisoxazole-4-carboxylic acid, 97%

CAS: 17147-85-2 Formula molecolare: C7H9NO3 Molecular Weight (g/mol): 155.153 Numero MDL: MFCD03422293 InChI Key: RSWFHHWVFZWIMV-UHFFFAOYSA-N Sinonimo: 3-ethyl-5-methylisoxazole-4-carboxylic acid,3-ethyl-5-methyl-isoxazole-4-carboxylic acid,3-ethyl-5-methyl-4-isoxazolecarboxylic acid,4-isoxazolecarboxylic acid, 3-ethyl-5-methyl,acmc-1c8pz,4-isoxazolecarboxylicacid,3-ethyl-5-methyl,4-isoxazolecarboxylicacid, 3-ethyl-5-methyl,4-isoxazolecarboxylic acid, 3-ethyl-5-methyl-8ci,9ci PubChem CID: 2063310 IUPAC Name: 3-ethyl-5-methyl-1,2-oxazole-4-carboxylic acid SMILES: CCC1=NOC(=C1C(=O)O)C

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Sinonimo	3-ethyl-5-methylisoxazole-4-carboxylic acid,3-ethyl-5-methyl-isoxazole-4-carboxylic acid,3-ethyl-5-methyl-4-isoxazolecarboxylic acid,4-isoxazolecarboxylic acid, 3-ethyl-5-methyl,acmc-1c8pz,4-isoxazolecarboxylicacid,3-ethyl-5-methyl,4-isoxazolecarboxylicacid, 3-ethyl-5-methyl,4-isoxazolecarboxylic acid, 3-ethyl-5-methyl-8ci,9ci
Numero MDL	MFCD03422293
PubChem CID	2063310
Formula molecolare	C7H9NO3
CAS	17147-85-2
Molecular Weight (g/mol)	155.153
SMILES	CCC1=NOC(=C1C(=O)O)C
IUPAC Name	3-ethyl-5-methyl-1,2-oxazole-4-carboxylic acid
InChI Key	RSWFHHWVFZWIMV-UHFFFAOYSA-N

Isoxazole-5-carboxylic acid, 95%, Thermo Scientific™

CAS: 21169-71-1 Formula molecolare: C4H3NO3 Molecular Weight (g/mol): 113.072 Numero MDL: MFCD00156151 InChI Key: MIIQJAUWHSUTIT-UHFFFAOYSA-N Sinonimo: isoxazole-5-carboxylic acid,5-isoxazolecarboxylic acid,isoxazole-5-carboxylicacid,5-carboxyisoxazole,pubchem8643,isoxazole-5-carboxylic,5-carboxy-1,2-oxazole,isoxazole 5-carboxylic acid,ksc207s2h PubChem CID: 2060599 IUPAC Name: 1,2-oxazole-5-carboxylic acid SMILES: C1=C(ON=C1)C(=O)O

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Sinonimo	isoxazole-5-carboxylic acid,5-isoxazolecarboxylic acid,isoxazole-5-carboxylicacid,5-carboxyisoxazole,pubchem8643,isoxazole-5-carboxylic,5-carboxy-1,2-oxazole,isoxazole 5-carboxylic acid,ksc207s2h
Numero MDL	MFCD00156151
PubChem CID	2060599
Formula molecolare	C4H3NO3
CAS	21169-71-1
Molecular Weight (g/mol)	113.072
SMILES	C1=C(ON=C1)C(=O)O
IUPAC Name	1,2-oxazole-5-carboxylic acid
InChI Key	MIIQJAUWHSUTIT-UHFFFAOYSA-N

5-Methyl-4-isoxazolesulfonyl chloride, 95%, Thermo Scientific™

CAS: 321309-26-6 Formula molecolare: C4H4ClNO3S Molecular Weight (g/mol): 181.59 Numero MDL: MFCD02681975 InChI Key: STYUNYVEEFPQMF-UHFFFAOYSA-N Sinonimo: 5-methyl-4-isoxazolesulfonyl chloride,5-methylisoxazole-4-sulfonyl chloride,4-isoxazolesulfonyl chloride, 5-methyl,4-chlorosulfonyl-5-methylisoxazole,chloro 5-methylisoxazol-4-yl sulfone,4-chlorosulphonyl-5-methylisoxazole,4-isoxazolesulfonylchloride, 5-methyl,5-methyl-4-isoxazole sulfonyl chloride,5-methyl-isoxazole-4-sulfonyl chloride,5-methylisoxazole-4-sulphonyl chloride PubChem CID: 2776141 IUPAC Name: 5-methyl-1,2-oxazole-4-sulfonyl chloride SMILES: CC1=C(C=NO1)S(=O)(=O)Cl

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Sinonimo	5-methyl-4-isoxazolesulfonyl chloride,5-methylisoxazole-4-sulfonyl chloride,4-isoxazolesulfonyl chloride, 5-methyl,4-chlorosulfonyl-5-methylisoxazole,chloro 5-methylisoxazol-4-yl sulfone,4-chlorosulphonyl-5-methylisoxazole,4-isoxazolesulfonylchloride, 5-methyl,5-methyl-4-isoxazole sulfonyl chloride,5-methyl-isoxazole-4-sulfonyl chloride,5-methylisoxazole-4-sulphonyl chloride
Numero MDL	MFCD02681975
PubChem CID	2776141
Formula molecolare	C4H4ClNO3S
CAS	321309-26-6
Molecular Weight (g/mol)	181.59
SMILES	CC1=C(C=NO1)S(=O)(=O)Cl
IUPAC Name	5-methyl-1,2-oxazole-4-sulfonyl chloride
InChI Key	STYUNYVEEFPQMF-UHFFFAOYSA-N

Benzo[d]isoxazol-3-ol, ≥95%, Thermo Scientific™

CAS: 21725-69-9 Formula molecolare: C7H5NO2 Molecular Weight (g/mol): 135.122 Numero MDL: MFCD00125030 InChI Key: QLDQYRDCPNBPII-UHFFFAOYSA-N Sinonimo: benzo d isoxazol-3-ol,1,2-benzisoxazol-3 2h-one,1,2-benzoxazol-3-ol,1,2-benzisoxazol-3-ol,3-hydroxybenzisoxazole,3-hydroxy-1,2-benzisoxazole,1,2-benzisoxazolin-3-one,1,2-benzisoxazol-3-ol 8ci,2h-1,2-benzoxazol-3-one,benzisoxazolone PubChem CID: 210830 IUPAC Name: 1,2-benzoxazol-3-one SMILES: C1=CC=C2C(=C1)C(=O)NO2

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Sinonimo	benzo d isoxazol-3-ol,1,2-benzisoxazol-3 2h-one,1,2-benzoxazol-3-ol,1,2-benzisoxazol-3-ol,3-hydroxybenzisoxazole,3-hydroxy-1,2-benzisoxazole,1,2-benzisoxazolin-3-one,1,2-benzisoxazol-3-ol 8ci,2h-1,2-benzoxazol-3-one,benzisoxazolone
Numero MDL	MFCD00125030
PubChem CID	210830
Formula molecolare	C7H5NO2
CAS	21725-69-9
Molecular Weight (g/mol)	135.122
SMILES	C1=CC=C2C(=C1)C(=O)NO2
IUPAC Name	1,2-benzoxazol-3-one
InChI Key	QLDQYRDCPNBPII-UHFFFAOYSA-N

5-Amino-3-methylisoxazole, 98%

CAS: 14678-02-5 Formula molecolare: C4H6N2O Molecular Weight (g/mol): 98.105 Numero MDL: MFCD00003151 InChI Key: FNXYWHTZDAVRTB-UHFFFAOYSA-N Sinonimo: 5-amino-3-methylisoxazole,3-methylisoxazol-5-amine,5-isoxazolamine, 3-methyl,3-methyl-5-isoxazolamine,unii-0g66r1h4rw,3-methyl-isoxazol-5-ylamine,3-methylisoxazole-5-ylamine,3-methylisoxazole-5-amine,acmc-209yk8,3-methylisooxazole-5-amine PubChem CID: 84590 IUPAC Name: 3-methyl-1,2-oxazol-5-amine SMILES: CC1=NOC(=C1)N

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Sinonimo	5-amino-3-methylisoxazole,3-methylisoxazol-5-amine,5-isoxazolamine, 3-methyl,3-methyl-5-isoxazolamine,unii-0g66r1h4rw,3-methyl-isoxazol-5-ylamine,3-methylisoxazole-5-ylamine,3-methylisoxazole-5-amine,acmc-209yk8,3-methylisooxazole-5-amine
Numero MDL	MFCD00003151
PubChem CID	84590
Formula molecolare	C4H6N2O
CAS	14678-02-5
Molecular Weight (g/mol)	98.105
SMILES	CC1=NOC(=C1)N
IUPAC Name	3-methyl-1,2-oxazol-5-amine
InChI Key	FNXYWHTZDAVRTB-UHFFFAOYSA-N

Isoxazoles

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